2-hydroxyethyl 4-azanyl-3-[1-azanyl-3-(diethylamino)propyl]-5-bromanyl-benzoate

Systemtic Name: 2-hydroxyethyl 4-azanyl-3-[1-azanyl-3-(diethylamino)propyl]-5-bromanyl-benzoate Openeye Name: 2-hydroxyethyl 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromo-benzoate CAS Name: 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromobenzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromobenzoate Traditional Name: 4-amino-3-[1-amino-3-(diethylamino)propyl]-5-bromo-benzoic acid 2-hydroxyethyl ester Formula: C16H26BrN3O3 MolecularWeight: 388.29994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C1=C(C(=CC(=C1)C(=O)OCCO)Br)N)N

Isomeric SMILES

CCN(CC)CCC(C1=C(C(=CC(=C1)C(=O)OCCO)Br)N)N

InChI

InChI=1S/C16H26BrN3O3/c1-3-20(4-2)6-5-14(18)12-9-11(10-13(17)15(12)19)16(22)23-8-7-21/h9-10,14,21H,3-8,18-19H2,1-2H3